3-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-1,7-diethyl-purine-2,6-dione

Systemtic Name: 3-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-1,7-diethyl-purine-2,6-dione Openeye Name: 3-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-1,7-diethyl-purine-2,6-dione CAS Name: 3-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-1,7-diethylpurine-2,6-dione IUPAC Name: 3-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-1,7-diethylpurine-2,6-dione Traditional Name: 3-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-1,7-diethyl-xanthine Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CCCCC3COC(O3)(C)C)CC

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CCCCC3COC(O3)(C)C)CC

InChI

InChI=1S/C18H28N4O4/c1-5-20-12-19-15-14(20)16(23)21(6-2)17(24)22(15)10-8-7-9-13-11-25-18(3,4)26-13/h12-13H,5-11H2,1-4H3